SCHEMBL762116

SCHEMBL762116

Cc1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1

nearest known ligand 0.96

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 2/20 0.79
XDH P47989 7/20 0.65
RPA1 P27694 1/20 0.62
ATM Q13315 1/20 0.62
TP53 P04637 3/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ALDH1A1 P00352 2/20 0.56
CYP19A1 P11511 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2667739 0.98 ADH5 (0.75) ADH5XDHRPA1ATMTP53
SCHEMBL9984638 0.87 ADH5 (0.95) ADH5XDHRPA1ATMTP53
SCHEMBL8264193 0.82 XDH (0.66) ADH5XDHRPA1ATMTP53
SCHEMBL16326388 0.81 TP53 (0.58) ADH5XDHRPA1ATMTP53
Methylbiphenyl Tetrazole SCHEMBL8171721 0.80 MEN1 (0.69) XDHALDH1A1
SCHEMBL17208850 0.79 ADH5 (0.79) ADH5XDHRPA1ATMTP53
SCHEMBL5891983 0.79 ADH5 (0.79) ADH5XDHRPA1ATMTP53
SCHEMBL23512757 0.79 TP53 (0.96) ADH5XDHRPA1ATMTP53
SCHEMBL17204982 0.78 ADH5 (0.76) ADH5XDHRPA1ATMTP53
SCHEMBL17208852 0.77 ADH5 (0.75) ADH5XDHRPA1ATMTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138303-B2 Polymers BASF SE (DE) 2012-03-20 US disclosed
US-20100249349-A1 Novel Polymers UDC IRELAND LIMITED (IE) 2010-09-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249349-A1 Novel Polymers OCIAD2, OCIAD1, SLCO4C1 ADH5 516/4885XDH 1669/4885RPA1 1051/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.